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ID: ALA3214045
Max Phase: Preclinical
Molecular Formula: C10H10F2N2O2
Molecular Weight: 228.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO/N=C/CC(=O)Nc1ccc(F)cc1F
Standard InChI: InChI=1S/C10H10F2N2O2/c1-16-13-5-4-10(15)14-9-3-2-7(11)6-8(9)12/h2-3,5-6H,4H2,1H3,(H,14,15)/b13-5+
Standard InChI Key: TYCSSPMCZUVOBL-WLRTZDKTSA-N
Associated Targets(Human)
Importin subunit beta-1/Snurportin-1 25097 Activities
Geminin 128009 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 228.20 | Molecular Weight (Monoisotopic): 228.0710 | AlogP: 1.93 | #Rotatable Bonds: 4 |
| Polar Surface Area: 50.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.93 | CX Basic pKa: 1.94 | CX LogP: 1.62 | CX LogD: 1.62 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.63 | Np Likeness Score: -1.78 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):